HRID152283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1001

Phenethylamine

C8H11N

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：CC(=O)OCC1OC(n2cnc3c(Cl)nc(C#N)nc32)C(OC(C)=O)C1OC(C)=O

HCID22346182

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(n2cnc3c(NCCc4ccccc4)nc(C#N)nc32)C(OC(C)=O)C1OC(C)=O

HCID18317215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a378a52513e74787a8118ee73b2a3c39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:26][O:27][C:28]([CH3:29])=[O:30])[O:7][CH:8]([n:14]2[c:15]3[n:16][c:17]([C:24]#[N:25])[n:18][c:19]([Cl:23])[c:20]3[n:21][cH:22]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13].[CH2:38]([CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[NH2:46].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:47][C:48]#[N:49]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:26][O:27][C:28]([CH3:29])=[O:30])[O:7][CH:8]([n:14]2[c:15]3[n:16][c:17]([C:24]#[N:25])[n:18][c:19]([NH:46][CH2:38][CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:20]3[n:21][cH:22]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13]